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7-Acetyl-8,9-dihydroxy-2,2,4,4,6-pentamethyl-anthracene-1,3-dione
SpectraBase Compound ID 3X4Ja8yrzer
InChI InChI=1S/C21H22O5/c1-9-7-11-8-12-15(17(24)14(11)16(23)13(9)10(2)22)18(25)21(5,6)19(26)20(12,3)4/h7-8,23-24H,1-6H3
InChIKey MEPZRMGKLLUDEW-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQEuUBqX9dp
Name 7-Acetyl-8,9-dihydroxy-2,2,4,4,6-pentamethyl-anthracene-1,3-dione
Alternate Name(s) 7-Acetyl-8,9-dihydroxy-2,2,4,4,6-pentamethyl-anthracene-1,3-quinone 7-Ethanoyl-2,2,4,4,6-pentamethyl-8,9-bis(oxidanyl)anthracene-1,3-dione
CAS Registry Number 109872-42-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-9-7-11-8-12-15(17(24)14(11)16(23)13(9)10(2)22)18(25)21(5,6)19(26)20(12,3)4/h7-8,23-24H,1-6H3
InChIKey MEPZRMGKLLUDEW-UHFFFAOYSA-N
Molecular Weight 354.402 g/mol
SMILES Oc1c2c(c(c(cc2cc2C(C(C(C(c12)=O)(C)C)=O)(C)C)C)C(=O)C)O
SPLASH splash10-0fe3-0019000000-723b42a328184f8c79fb
Source of Spectrum I-65-382-20
Wiley ID 1344680